CID 98188

2-nonadecanol

Structural Information

Molecular Formula
C19H40O
SMILES
CCCCCCCCCCCCCCCCCC(C)O
InChI
InChI=1S/C19H40O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h19-20H,3-18H2,1-2H3
InChIKey
QXYWIOWTBOREMG-UHFFFAOYSA-N
Compound name
nonadecan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

477
Patents

284.30792 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.315196 182.5
[M+Na]+ 307.297138 183.7
[M-H]- 283.300644 179.0
[M+NH4]+ 302.341743 197.9
[M+K]+ 323.271078 180.0
[M+H-H2O]+ 267.305180 175.9
[M+HCOO]- 329.306121 199.7
[M+CH3COO]- 343.321771 206.5
[M+Na-2H]- 305.282586 180.8
[M]+ 284.30737142 187.6
[M]- 284.30846858 187.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe